4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanylbenzoic acid

Systemtic Name: 4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanylbenzoic acid Openeye Name: 4-[4-[(2,6-diisopropylphenyl)carbamoylamino]phenyl]sulfanylbenzoic acid CAS Name: 4-[[4-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]phenyl]thio]benzoic acid IUPAC Name: 4-[4-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]phenyl]sulfanylbenzoic acid Traditional Name: 4-[[4-[(2,6-diisopropylphenyl)carbamoylamino]phenyl]thio]benzoic acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H28N2O3S/c1-16(2)22-6-5-7-23(17(3)4)24(22)28-26(31)27-19-10-14-21(15-11-19)32-20-12-8-18(9-13-20)25(29)30/h5-17H,1-4H3,(H,29,30)(H2,27,28,31)